CID 103407

65520-42-5

Structural Information

Molecular Formula
C25H48O10
SMILES
CCCCOCCOCCOCCOC(=O)CCCC(=O)OCCOCCOCCOCCCC
InChI
InChI=1S/C25H48O10/c1-3-5-10-28-12-14-30-16-18-32-20-22-34-24(26)8-7-9-25(27)35-23-21-33-19-17-31-15-13-29-11-6-4-2/h3-23H2,1-2H3
InChIKey
VYYKGEAVUMSSBR-UHFFFAOYSA-N
Compound name
bis[2-[2-(2-butoxyethoxy)ethoxy]ethyl] pentanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

24
Patents

508.32474 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.33202 234.6
[M+Na]+ 531.31396 238.8
[M-H]- 507.31746 226.7
[M+NH4]+ 526.35856 241.2
[M+K]+ 547.28790 234.8
[M+H-H2O]+ 491.32200 237.3
[M+HCOO]- 553.32294 244.7
[M+CH3COO]- 567.33859 240.9
[M+Na-2H]- 529.29941 220.9
[M]+ 508.32419 236.6
[M]- 508.32529 236.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe